ChemSpider 2D Image | (1R,17S)-20-[5-(2-Chlorophenyl)-2-methyl-3-furoyl]-7-fluoro-11-oxa-3,14,20-triazatricyclo[15.2.1.0~5,10~]icosa-5,7,9-triene-4,15-dione | C28H27ClFN3O5

(1R,17S)-20-[5-(2-Chlorophenyl)-2-methyl-3-furoyl]-7-fluoro-11-oxa-3,14,20-triazatricyclo[15.2.1.05,10]icosa-5,7,9-triene-4,15-dione

  • Molecular FormulaC28H27ClFN3O5
  • Average mass539.982 Da
  • Monoisotopic mass539.162354 Da
  • ChemSpider ID90305874

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,17S)-20-[5-(2-Chlorophenyl)-2-methyl-3-furoyl]-7-fluoro-11-oxa-3,14,20-triazatricyclo[15.2.1.05,10]icosa-5,7,9-triene-4,15-dione [ACD/IUPAC Name]
(1R,17S)-20-[5-(2-Chlorophényl)-2-méthyl-3-furoyl]-7-fluoro-11-oxa-3,14,20-triazatricyclo[15.2.1.05,10]icosa-5,7,9-triène-4,15-dione [French] [ACD/IUPAC Name]
(1R,17S)-20-[5-(2-Chlorphenyl)-2-methyl-3-furoyl]-7-fluor-11-oxa-3,14,20-triazatricyclo[15.2.1.05,10]icosa-5,7,9-trien-4,15-dion [German] [ACD/IUPAC Name]
7,10-Imino-1,4,12-benzoxadiazacyclopentadecine-5,13(2H,6H)-dione, 18-[[5-(2-chlorophenyl)-2-methyl-3-furanyl]carbonyl]-15-fluoro-3,4,7,8,9,10,11,12-octahydro-, (7S,10R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 826.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 453.5±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 137.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.26
ACD/KOC (pH 5.5): 1047.25
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.26
ACD/KOC (pH 7.4): 1047.25
Polar Surface Area: 101 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 419.4±3.0 cm3

Click to predict properties on the Chemicalize site


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